| SpectraBase Compound ID | FxRKZMofY7F |
|---|---|
| InChI | InChI=1S/C13H12ClF5O2/c14-5-3-1-2-4-8(20)21-6-7-9(15)11(17)13(19)12(18)10(7)16/h1-6H2 |
| InChIKey | KHPAGZIGXOZENU-UHFFFAOYSA-N |
| Mol Weight | 330.68 g/mol |
| Molecular Formula | C13H12ClF5O2 |
| Exact Mass | 330.044598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8ZxzfQ2DMp |
|---|---|
| Name | 6-Chlorohexanoic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.044598139 u |
| Formula | C13H12ClF5O2 |
| InChI | InChI=1S/C13H12ClF5O2/c14-5-3-1-2-4-8(20)21-6-7-9(15)11(17)13(19)12(18)10(7)16/h1-6H2 |
| InChIKey | KHPAGZIGXOZENU-UHFFFAOYSA-N |
| Molecular Weight | 330.682 g/mol |
| SMILES | C(CCCCl)CC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |